3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide

C11H22N2O5 — CID 176714971

IUPAC3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
SMILESCC(=O)NCCOCCOCCOCCC(N)=O
InChIInChI=1S/C11H22N2O5/c1-10(14)13-3-5-17-7-9-18-8-6-16-4-2-11(12)15/h2-9H2,1H3,(H2,12,15)(H,13,14)
InChIKeyYUMALZYBNQYYIO-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.95
Rot. Bonds12

About 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide

3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide (PubChem CID 176714971) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound Name3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
PubChem CID176714971
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
SMILESCC(=O)NCCOCCOCCOCCC(N)=O
InChIInChI=1S/C11H22N2O5/c1-10(14)13-3-5-17-7-9-18-8-6-16-4-2-11(12)15/h2-9H2,1H3,(H2,12,15)(H,13,14)
InChIKeyYUMALZYBNQYYIO-UHFFFAOYSA-N
XLogP-0.95
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
CID 158546704
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138748213
2-(3-oxobutoxy)ethylurea
CID 176664573
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide?
The IUPAC name of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide (CID 176714971) is 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide.
What is the SMILES notation for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide?
The canonical SMILES for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide is CC(=O)NCCOCCOCCOCCC(N)=O.
What is the InChIKey of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide?
The InChIKey is YUMALZYBNQYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-10(14)13-3-5-17-7-9-18-8-6-16-4-2-11(12)15/h2-9H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide?
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide has a molecular weight of 262.31 g/mol, XLogP of -0.95, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 176714971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).